2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid

C15H19N3O3 — CID 10379413

IUPAC2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)c(NCCCCN)nc2c1
InChIInChI=1S/C15H19N3O3/c1-21-11-5-4-10-8-12(15(19)20)14(18-13(10)9-11)17-7-3-2-6-16/h4-5,8-9H,2-3,6-7,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyJDNJQYMHHISVBX-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.09
Rot. Bonds7

About 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid

2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid (PubChem CID 10379413) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid
PubChem CID10379413
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)c(NCCCCN)nc2c1
InChIInChI=1S/C15H19N3O3/c1-21-11-5-4-10-8-12(15(19)20)14(18-13(10)9-11)17-7-3-2-6-16/h4-5,8-9H,2-3,6-7,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyJDNJQYMHHISVBX-UHFFFAOYSA-N
XLogP2.09
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methoxy-2-(propylamino)quinoline-3-carboxylic acid
CID 10400374
7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid
CID 10246128
2-(3-acetylanilino)-7-methoxyquinoline-3-carboxylic acid
CID 10449658
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
2-O-ethyl 3-O-methyl 7-methoxyquinoline-2,3-dicarboxylate
CID 134910532
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
2-(2-aminoethyl)-4-methoxybenzoic acid
CID 83853053
methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate
CID 62251194
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid (CID 10379413) is 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid is COc1ccc2cc(C(=O)O)c(NCCCCN)nc2c1.
What is the InChIKey of 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid?
The InChIKey is JDNJQYMHHISVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-11-5-4-10-8-12(15(19)20)14(18-13(10)9-11)17-7-3-2-6-16/h4-5,8-9H,2-3,6-7,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid?
2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 10379413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).